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1,3-Cyclobutanedicarboxylic acid, 2-hydroxy-2,4,4-trimethyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.)-
SpectraBase Compound ID 2miCTntptv3
InChI InChI=1S/C11H18O5/c1-10(2)6(8(12)15-4)11(3,14)7(10)9(13)16-5/h6-7,14H,1-5H3/t6-,7-/m0/s1
InChIKey DFIKPGYIQVHANQ-BQBZGAKWSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcjEwFrANUP
Name 1,3-Cyclobutanedicarboxylic acid, 2-hydroxy-2,4,4-trimethyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.)-
CAS Registry Number 86554-42-9
Comments Less than 3 mono-isotopic peaks
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Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-10(2)6(8(12)15-4)11(3,14)7(10)9(13)16-5/h6-7,14H,1-5H3/t6-,7-/m0/s1
InChIKey DFIKPGYIQVHANQ-BQBZGAKWSA-N
Molecular Weight 230.260 g/mol
SMILES OC1([C@](C([C@@]1(C(=O)OC)[H])(C)C)(C(=O)OC)[H])C
SPLASH splash10-0159-8900000000-ee1506f4a028d64364b3
Source of Spectrum F-39-852-0
Synonyms dimethyl (1S,3S)-2-hydroxy-2,4,4-trimethyl-1,3-cyclobutanedicarboxylate Dimethyl 1,3,3-trimethylcyclobutan-1-ol-2,4-dicarboxylate
Wiley ID 1231446